(5E)-6,10-dimethylundeca-5,9-dien-1-yne

C13H20 — CID 5365876

IUPAC(5E)-6,10-dimethylundeca-5,9-dien-1-yne
SMILESC#CCC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H20/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,9-10H,6-8,11H2,2-4H3/b13-10+
InChIKeyGNOQEXWKRHKDKA-JLHYYAGUSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds5

About (5E)-6,10-dimethylundeca-5,9-dien-1-yne

(5E)-6,10-dimethylundeca-5,9-dien-1-yne (PubChem CID 5365876) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (5E)-6,10-dimethylundeca-5,9-dien-1-yne.

Molecular Properties

Compound Name(5E)-6,10-dimethylundeca-5,9-dien-1-yne
PubChem CID5365876
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(5E)-6,10-dimethylundeca-5,9-dien-1-yne
SMILESC#CCC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H20/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,9-10H,6-8,11H2,2-4H3/b13-10+
InChIKeyGNOQEXWKRHKDKA-JLHYYAGUSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-6,10-dimethylundeca-5,9-dien-1-yne?
The IUPAC name of (5E)-6,10-dimethylundeca-5,9-dien-1-yne (CID 5365876) is (5E)-6,10-dimethylundeca-5,9-dien-1-yne.
What is the SMILES notation for (5E)-6,10-dimethylundeca-5,9-dien-1-yne?
The canonical SMILES for (5E)-6,10-dimethylundeca-5,9-dien-1-yne is C#CCC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (5E)-6,10-dimethylundeca-5,9-dien-1-yne?
The InChIKey is GNOQEXWKRHKDKA-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H20/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,9-10H,6-8,11H2,2-4H3/b13-10+.
What are the key properties of (5E)-6,10-dimethylundeca-5,9-dien-1-yne?
(5E)-6,10-dimethylundeca-5,9-dien-1-yne has a molecular weight of 176.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6,10-dimethylundeca-5,9-dien-1-yne is sourced from PubChem (CID 5365876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).